2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]ethanoate

Systemtic Name: 2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]ethanoate Openeye Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]acetate CAS Name: 2-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]acetate Traditional Name: 2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]acetate Formula: C17H18NO4- MolecularWeight: 300.32912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NCC(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NCC(=O)[O-])O

InChI

InChI=1S/C17H19NO4/c19-15(20)12-18-16(21)14-6-4-13(5-7-14)8-11-17(22)9-2-1-3-10-17/h4-7,22H,1-3,9-10,12H2,(H,18,21)(H,19,20)/p-1